CHEMBL3321790


SMILES OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1
InChIKey MPWWGTFDWDZHRM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 405.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pKi 9.15 9.15 9.15 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.7 7.7 7.7 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.05 7.05 7.05 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.98 5.98 5.98 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.01 7.01 7.01 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.46 6.46 6.46 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.54 8.54 8.54 ChEMBL
H1 HRH1 Human Histamine A pKi 6.01 6.01 6.01 ChEMBL
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.82 5.82 5.82 ChEMBL
D4 DRD4 Rat Dopamine A pKi 8.05 8.05 8.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database